tert-butyl carbamate;pent-4-enoic acid

C10H19NO4 — CID 142994307

IUPACtert-butyl carbamate;pent-4-enoic acid
SMILESC=CCCC(=O)O.CC(C)(C)OC(N)=O
InChIInChI=1S/C5H11NO2.C5H8O2/c1-5(2,3)8-4(6)7;1-2-3-4-5(6)7/h1-3H3,(H2,6,7);2H,1,3-4H2,(H,6,7)
InChIKeyLCHLRURGNIIWLE-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.92
Rot. Bonds3

About tert-butyl carbamate;pent-4-enoic acid

tert-butyl carbamate;pent-4-enoic acid (PubChem CID 142994307) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl carbamate;pent-4-enoic acid.

Molecular Properties

Compound Nametert-butyl carbamate;pent-4-enoic acid
PubChem CID142994307
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl carbamate;pent-4-enoic acid
SMILESC=CCCC(=O)O.CC(C)(C)OC(N)=O
InChIInChI=1S/C5H11NO2.C5H8O2/c1-5(2,3)8-4(6)7;1-2-3-4-5(6)7/h1-3H3,(H2,6,7);2H,1,3-4H2,(H,6,7)
InChIKeyLCHLRURGNIIWLE-UHFFFAOYSA-N
XLogP1.92
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-(2-oxohex-5-enyl)carbamate
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tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;pent-4-enoic acid?
The IUPAC name of tert-butyl carbamate;pent-4-enoic acid (CID 142994307) is tert-butyl carbamate;pent-4-enoic acid.
What is the SMILES notation for tert-butyl carbamate;pent-4-enoic acid?
The canonical SMILES for tert-butyl carbamate;pent-4-enoic acid is C=CCCC(=O)O.CC(C)(C)OC(N)=O.
What is the InChIKey of tert-butyl carbamate;pent-4-enoic acid?
The InChIKey is LCHLRURGNIIWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C5H8O2/c1-5(2,3)8-4(6)7;1-2-3-4-5(6)7/h1-3H3,(H2,6,7);2H,1,3-4H2,(H,6,7).
What are the key properties of tert-butyl carbamate;pent-4-enoic acid?
tert-butyl carbamate;pent-4-enoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;pent-4-enoic acid is sourced from PubChem (CID 142994307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).